SCHEMBL7848502

SCHEMBL7848502

Cc1cccc(S(=O)(=O)NC(CNC(=O)C[C@@H]2CC(c3ccc(C(=N)N)nc3)NO2)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.40
▸ ITGA2B P08514 13/20 0.40
▸ ITGB1 P05556 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ F2 P00734 4/20 0.34
▸ ITGAV P06756 3/20 0.34
▸ POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7847593 0.86 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA5
SCHEMBL7372624 0.84 F2 (0.32) ITGB3ITGA2BF2
SCHEMBL9092432 0.77 ITGAV (0.50) ITGB3ITGA2BITGAV
SCHEMBL7449964 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7447180 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7442644 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7450135 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL29373935 0.74 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL9094839 0.73 ITGAV (0.49) ITGB3ITGA2BITGAV
SCHEMBL7375637 0.73 ITGB3 (0.45) ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
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